5-bromo-2-fluoropyridine;(6-fluoro-3-pyridinyl)boronic acid

C10H8BBrF2N2O2 — CID 161439671

IUPAC5-bromo-2-fluoropyridine;(6-fluoro-3-pyridinyl)boronic acid
SMILESFc1ccc(Br)cn1.OB(O)c1ccc(F)nc1
InChIInChI=1S/C5H5BFNO2.C5H3BrFN/c7-5-2-1-4(3-8-5)6(9)10;6-4-1-2-5(7)8-3-4/h1-3,9-10H;1-3H
InChIKeyVZCJVIPAIHNIRB-UHFFFAOYSA-N
MW316.90 g/mol
LogP0.88
Rot. Bonds1

About 5-bromo-2-fluoropyridine;(6-fluoro-3-pyridinyl)boronic acid

5-bromo-2-fluoropyridine;(6-fluoro-3-pyridinyl)boronic acid (PubChem CID 161439671) has the molecular formula C10H8BBrF2N2O2 and a molecular weight of 316.90 g/mol. Its IUPAC name is 5-bromo-2-fluoropyridine;(6-fluoro-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name5-bromo-2-fluoropyridine;(6-fluoro-3-pyridinyl)boronic acid
PubChem CID161439671
Molecular FormulaC10H8BBrF2N2O2
Molecular Weight316.90 g/mol
Exact Mass315.98
IUPAC Name5-bromo-2-fluoropyridine;(6-fluoro-3-pyridinyl)boronic acid
SMILESFc1ccc(Br)cn1.OB(O)c1ccc(F)nc1
InChIInChI=1S/C5H5BFNO2.C5H3BrFN/c7-5-2-1-4(3-8-5)6(9)10;6-4-1-2-5(7)8-3-4/h1-3,9-10H;1-3H
InChIKeyVZCJVIPAIHNIRB-UHFFFAOYSA-N
XLogP0.88
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoropyridine;(6-fluoro-3-pyridinyl)boronic acid?
The IUPAC name of 5-bromo-2-fluoropyridine;(6-fluoro-3-pyridinyl)boronic acid (CID 161439671) is 5-bromo-2-fluoropyridine;(6-fluoro-3-pyridinyl)boronic acid.
What is the SMILES notation for 5-bromo-2-fluoropyridine;(6-fluoro-3-pyridinyl)boronic acid?
The canonical SMILES for 5-bromo-2-fluoropyridine;(6-fluoro-3-pyridinyl)boronic acid is Fc1ccc(Br)cn1.OB(O)c1ccc(F)nc1.
What is the InChIKey of 5-bromo-2-fluoropyridine;(6-fluoro-3-pyridinyl)boronic acid?
The InChIKey is VZCJVIPAIHNIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BFNO2.C5H3BrFN/c7-5-2-1-4(3-8-5)6(9)10;6-4-1-2-5(7)8-3-4/h1-3,9-10H;1-3H.
What are the key properties of 5-bromo-2-fluoropyridine;(6-fluoro-3-pyridinyl)boronic acid?
5-bromo-2-fluoropyridine;(6-fluoro-3-pyridinyl)boronic acid has a molecular weight of 316.90 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoropyridine;(6-fluoro-3-pyridinyl)boronic acid is sourced from PubChem (CID 161439671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).